| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051401
BDB051401
|
N-(2,3-seco-olean-12-en-28-oyl)-D-valine acid
CC(C)[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@@]3(C)[C@]1(C)CC2)C(=O)O
|
C35H55NO7 601.825000 |
NTRVYZKAZXBFFH-HSVPVTPJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298418; PubChem:CID45482037
|
Local ready
Direct docking supported
|
|
E3L051402
BDB051402
|
BDBM50298419
CC(C)(C(=O)O)[C@@H]1CC[C@]2(C)[C@H](C(=O)C=C3[C@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CC(=O)O
|
C30H44O7 516.675000 |
RMEITWRACWKQHJ-WRPPASFKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50298419
|
Local ready
Direct docking supported
|
|
E3L051403
BDB051403
|
BDBM50298420
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]43C)[C@H]2C1
|
C30H46O6 502.692000 |
UCCQVJRIXILWAE-VRGYXOPPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50298420
|
Local ready
Direct docking supported
|
|
E3L051404
BDB051404
|
BDBM50299081
Cc1ccc(-c2ccc3occ(-c4ccc([S@+](C)[O-])cc4)c3c2)o1
|
C20H16O3S 336.412000 |
WAODYHWCESZZOF-DEOSSOPVSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50299081; PubChem:CID45482700
|
Local ready
Direct docking supported
|
|
E3L051405
BDB051405
|
BDBM50299083
CC[S@+]([O-])c1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1
|
C21H18O3S 350.439000 |
NCGGCRHITOMNJS-VWLOTQADSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50299083; PubChem:CID45482750
|
Local ready
Direct docking supported
|
|
E3L051406
BDB051406
|
(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1
|
C22H20O3 332.399000 |
YVAQXSJDDQRTTP-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299109; PubChem:CID44241499
|
Local ready
Direct docking supported
|
|
E3L051407
BDB051407
|
rac-2-(4-Phenoxy-phenoxy)-3-phenyl-propanoic Acid
O=C(O)C(Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1
|
C21H18O4 334.371000 |
IEXBOJGUGHJECN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299110; PubChem:CID44480973
|
Local ready
Direct docking supported
|
|
E3L051408
BDB051408
|
rac-2-(4-Benzyloxy-phenoxy)-3-phenyl-propanoic Acid
O=C(O)C(Cc1ccccc1)Oc1ccc(OCc2ccccc2)cc1
|
C22H20O4 348.398000 |
GMTQKGJGBNSDQS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299111; PubChem:CID45482771
|
Local ready
Direct docking supported
|
|
E3L051409
BDB051409
|
(2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1
|
C23H22O3 346.426000 |
XCJJDOWGIZSDKH-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299112; PubChem:CID44241498
|
Local ready
Direct docking supported
|
|
E3L051410
BDB051410
|
BDBM50299113
O=C(O)C(Cc1ccccc1)Oc1ccc(/C=C\c2ccccc2)cc1
|
C23H20O3 344.410000 |
DVAPGBUSTKYDCE-QXMHVHEDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299113; PubChem:CID44480718
|
Local ready
Direct docking supported
|
|
E3L051411
BDB051411
|
BDBM50299114
O=C(O)C(Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1
|
C22H20O3S 364.466000 |
WROBXNIPOICBSO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299114; PubChem:CID44481227
|
Local ready
Direct docking supported
|
|
E3L051412
BDB051412
|
rac-2-(4-Benzylthio-phenoxy)-3-phenyl-propanoic Acid
O=C(O)C(Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1
|
C22H20O3S 364.466000 |
GUOBGIGORNBZEV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299115; PubChem:CID44480201
|
Local ready
Direct docking supported
|
|
E3L051413
BDB051413
|
rac-2-(4-Phenylethynyl-phenoxy)-3-phenyl-propanoic Acid
O=C(O)C(Cc1ccccc1)Oc1ccc(C#Cc2ccccc2)cc1
|
C23H18O3 342.394000 |
OSGLQLKJGXNGEB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299116; PubChem:CID44480461
|
Local ready
Direct docking supported
|
|
E3L051414
BDB051414
|
rac-2-(4-Phenoxymethyl-phenoxy)-3-phenyl-propanoic Acid
O=C(O)C(Cc1ccccc1)Oc1ccc(COc2ccccc2)cc1
|
C22H20O4 348.398000 |
JLLUPEVJHDHQCE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299117; PubChem:CID44481226
|
Local ready
Direct docking supported
|
|
E3L051415
BDB051415
|
rac-2-(4-trans-Styryl-phenoxy)-3-phenyl-propanoic Acid
O=C(O)C(Cc1ccccc1)Oc1ccc(/C=C/c2ccccc2)cc1
|
C23H20O3 344.410000 |
DVAPGBUSTKYDCE-VAWYXSNFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299118; PubChem:CID44481229
|
Local ready
Direct docking supported
|
|
E3L051416
BDB051416
|
BDBM50299119
O=C(O)C(Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1
|
C24H24O3 360.453000 |
SMIOIVPAQCHIDD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299119; PubChem:CID44481230
|
Local ready
Direct docking supported
|
|
E3L051417
BDB051417
|
BDBM50299120
O=C(O)C(Cc1ccccc1)Oc1ccc(CNc2ccccc2)cc1
|
C22H21NO3 347.414000 |
VRCBONSLAHZZTQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299120; PubChem:CID44481228
|
Local ready
Direct docking supported
|
|
E3L051418
BDB051418
|
(R)-2-(4-Phenethyl-phenoxy)-3-phenyl-propanoic Acid
O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1
|
C23H22O3 346.426000 |
XCJJDOWGIZSDKH-JOCHJYFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299121; PubChem:CID44481225
|
Local ready
Direct docking supported
|
|
E3L051419
BDB051419
|
3-Phenyl-2-[4-(2-phenylacetyl)phenoxy]propanoic acid
O=C(Cc1ccccc1)c1ccc(OC(Cc2ccccc2)C(=O)O)cc1
|
C23H20O4 360.409000 |
KXORCUKBSWBOBF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299122; PubChem:CID44480460
|
Local ready
Direct docking supported
|
|
E3L051420
BDB051420
|
(R)-2-(4-Benzyl-phenoxy)-3-phenyl-propanoic Acid
O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1
|
C22H20O3 332.399000 |
YVAQXSJDDQRTTP-OAQYLSRUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299123; PubChem:CID44480465
|
Local ready
Direct docking supported
|